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Home > Thiazole > 1558141-41-5
1558141-41-5 | 9-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CAS No: 1558141-41-5 Catalog No: AG01BSM7 MDL No:MFCD30538486
Product Description
Catalog Number:
AG01BSM7
Chemical Name:
9-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CAS Number:
1558141-41-5
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD30538486
IUPAC Name:
9-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C10H11NOS/c1-7-3-2-4-8-10(7)13-6-5-9(12)11-8/h2-4H,5-6H2,1H3,(H,11,12)
InChI Key:
QWTWMGYYZIUSFX-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c(N1)cccc2C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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